SCHEMBL7315285

SCHEMBL7315285

Cc1cc(OCCCCCC(C(N)=O)N2CCCc3ccccc32)cc2c1CN1C(=N2)NC(=O)C1CO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.41
PDE3A Q14432 13/20 0.41
MAPT P10636 3/20 0.32
TSHR P16473 2/20 0.32
MCL1 Q07820 2/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
BCL2L1 Q07817 1/20 0.31
BAK1 Q16611 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7308814 0.83 PDE3B (0.52) PDE3BPDE3A
SCHEMBL7314546 0.82 PDE3B (0.39) PDE3BPDE3AMAPTTSHRMCL1
SCHEMBL7319827 0.79 PDE3B (0.51) PDE3BPDE3A
SCHEMBL7320601 0.76 PDE3B (0.35) PDE3BPDE3AMAPTTSHRLMNA
SCHEMBL7315274 0.73 PDE3B (0.45) PDE3BPDE3A
SCHEMBL7313632 0.71 ATM (0.39) MAPTTSHRMCL1LMNANPSR1
SCHEMBL7317428 0.71 ATM (0.38) MAPTTSHRMCL1LMNANPSR1
SCHEMBL7319259 0.71 ATM (0.38) MAPTTSHRMCL1LMNANPSR1
SCHEMBL10374578 0.70 PDE3B (0.68) PDE3BPDE3A
SCHEMBL7316653 0.69 PDE3B (0.40) PDE3BPDE3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed